4UCR

Fragment bound to H.influenza NAD dependent DNA ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-28
Detector	RIGAKU CCD
Spacegroup name	P 43 21 2
Unit cell lengths	137.660, 137.660, 56.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.180 - 2.150
R-factor	0.2533
Rwork	0.251
R-free	0.30130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.060	0.420
Number of reflections	28808
<I/σ(I)>	12	4
Completeness [%]	88.0	92
Redundancy	4.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1