2V82

KDPGal complexed to KDPGal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	H 3
Unit cell lengths	104.600, 104.600, 74.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.270 - 2.100
R-factor	0.216
Rwork	0.215
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v81
RMSD bond length	0.011
RMSD bond angle	1.265
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.360
Number of reflections	17654
<I/σ(I)>	20	5
Completeness [%]	99.9	100
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		pH 6