2BJ7

NIKR IN CLOSED CONFORMATION AND NICKEL BOUND TO HIGH-AFFINITY SITES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-04-13
Detector	RIGAKU RAXIS-V
Spacegroup name	P 32 2 1
Unit cell lengths	109.952, 109.952, 79.003
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.450 - 2.100
R-factor	0.196
Rwork	0.196
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bj1
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.280
Number of reflections	32158
<I/σ(I)>	24.8	5.5
Completeness [%]	99.3	99.2
Redundancy	8.3	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.50