1RQ2

MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH CITRATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-30
Detector	ADSC QUANTUM 1
Spacegroup name	P 65
Unit cell lengths	88.116, 88.116, 176.807
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.860
R-factor	0.18887
Rwork	0.187
R-free	0.22169
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fsz
RMSD bond length	0.015
RMSD bond angle	1.448
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	EPMR
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.061	0.409
Number of reflections	68271
<I/σ(I)>	11.4	1.3
Completeness [%]		99.1
Redundancy	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	293	30% PEG 4000, 0.1M SODIUM CITRATE, 0.2M AMMONIUM ACETATE, 2MM SRI-7614, ETHYL (6-AMINO-2,3-DIHYDRO-4-PHENYL-1H-PYRIDO[4,3-B][1,4]DIAZEPIN-8-YL)-CARBAMATE, WAS INCLUDED AS WELL, BUT WAS NOT LOCATED IN THE FINAL STRUCTURE, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 5.60