1MQL

BHA of Ukr/63

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	147.678, 147.098, 251.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.900
R-factor	0.269
Rwork	0.269
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008 *
RMSD bond angle	1.500 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.100	0.549 *
Number of reflections	58957
<I/σ(I)>	8
Completeness [%]	98.5	96 *
Redundancy	4.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Na citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11.0 (mg/ml)
2	1	drop	HEPES	10 (mM)	pH7.5
3	1	reservoir	sodium citrate	1.4 (M)
4	1	reservoir	HEPES	100 (mM)	pH7.5