1HKQ

PPS10 plasmid DNA replication initiator protein RepA. Replication inactive, dimeric N-terminal domain.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-07-15
Detector	MARRESEARCH
Wavelength(s)	1.0090, 1.0120
Spacegroup name	P 21 21 21
Unit cell lengths	51.866, 55.533, 96.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.890 - 2.750
R-factor	0.238
Rwork	0.238
R-free	0.27200
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.081	0.320
Total number of observations	44839 *
Number of reflections	8343
<I/σ(I)>	8	2.1
Completeness [%]	97.7	97.8
Redundancy	5.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	295	VAPOUR DIFFUSION (HANGING DROPS), WELLS: 500 MICROLITRES (14% PEG4000, 6% MPD), DROPS: 5 MICROLITRES PROTEIN (5 MG/ML IN 50 MM K2HPO4/ KH2PO4, PH= 6.2),5 MICROLITRES WELL SOL. PLUS 1 MICROLITRE OF P-CL-MERCURIBENZOATE (=1 MM IN WATER), THIN LARGE CRYSTAL PRISMS APPEAR AT 295 DEGREES KELVIN IN 1 MONTH., pH 6.20

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	14 (%(w/v))
2	1	reservoir	MPD	6 (%(v/v))
3	1	drop	protein	5 (mg/ml)
4	1	drop	potassium phosphate	50 (mM)	pH6.2